7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

C24H41N5O3Si — CID 171480081

About 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 171480081) has the molecular formula C24H41N5O3Si and a molecular weight of 475.71 g/mol. Its IUPAC name is 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

• Compound Name: 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
• PubChem CID: 171480081
• Molecular Formula: C24H41N5O3Si
• Molecular Weight: 475.71 g/mol
• Exact Mass: 475.30
• IUPAC Name: 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
• SMILES: C[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CO[Si](C)(C)C(C)(C)C)CN1
• InChI: InChI=1S/C24H41N5O3Si/c1-17-14-28(18(13-25-17)16-32-33(6,7)24(2,3)4)19-12-21(30)27(5)20-15-29(26-23(19)20)22-10-8-9-11-31-22/h12,15,17-18,22,25H,8-11,13-14,16H2,1-7H3/t17-,18-,22?/m1/s1
• InChIKey: OYYDPQFVAZSSKE-XWATYHNTSA-N
• XLogP: 3.62
• TPSA: 73.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.71
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?

The IUPAC name of 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 171480081) is 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

What is the SMILES notation for 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?

The canonical SMILES for 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is C[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CO[Si](C)(C)C(C)(C)C)CN1.

What is the InChIKey of 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?

The InChIKey is OYYDPQFVAZSSKE-XWATYHNTSA-N. The full InChI is InChI=1S/C24H41N5O3Si/c1-17-14-28(18(13-25-17)16-32-33(6,7)24(2,3)4)19-12-21(30)27(5)20-15-29(26-23(19)20)22-10-8-9-11-31-22/h12,15,17-18,22,25H,8-11,13-14,16H2,1-7H3/t17-,18-,22?/m1/s1.

What are the key properties of 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?

7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 475.71 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 171480081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).